1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine

C15H22Cl2N2 — CID 65317892

IUPAC1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2cc(Cl)ccc2Cl)C(C)CN1
InChIInChI=1S/C15H22Cl2N2/c1-3-4-14-10-19(11(2)8-18-14)9-12-7-13(16)5-6-15(12)17/h5-7,11,14,18H,3-4,8-10H2,1-2H3
InChIKeyKCSKEISQEVZJPS-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.96
Rot. Bonds4

About 1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine

1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine (PubChem CID 65317892) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine
PubChem CID65317892
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2cc(Cl)ccc2Cl)C(C)CN1
InChIInChI=1S/C15H22Cl2N2/c1-3-4-14-10-19(11(2)8-18-14)9-12-7-13(16)5-6-15(12)17/h5-7,11,14,18H,3-4,8-10H2,1-2H3
InChIKeyKCSKEISQEVZJPS-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine (CID 65317892) is 1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine is CCCC1CN(Cc2cc(Cl)ccc2Cl)C(C)CN1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine?
The InChIKey is KCSKEISQEVZJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-3-4-14-10-19(11(2)8-18-14)9-12-7-13(16)5-6-15(12)17/h5-7,11,14,18H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine?
1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine has a molecular weight of 301.26 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine is sourced from PubChem (CID 65317892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).